N-(cyano-1,2-dimethylpropyl)phthalamic acid

HCID 4890749
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Basic information

Standard SMILES
CC(C)C(C)(C#N)NC(=O)c1ccccc1C(=O)O
InChIKey
KCUOMAWBYCUWMA-UHFFFAOYSA-N
Molecular formula
C14H16N2O3
Average molar mass
260.29 g/mol
Monoisotopic mass
260.11609238

Names & identifiers

Preferred name
N-(cyano-1,2-dimethylpropyl)phthalamic acid
IUPAC
2-[(2-cyano-3-methylbutan-2-yl)carbamoyl]benzoic acid

Names & synonyms

Oprea1_222285SCHEMBL9602976KCUOMAWBYCUWMA-UHFFFAOYSA-NN-(cyano-1,2-dimethylpropyl)phthalamic acidN-(1-cyano1,2-dimethylpropyl)phthalamic acidN-(1-cyano-1,2-dimethylpropyl)phthalamic acid

Database identifiers

PubChem CID
4890749

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
90.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

12 records
New reaction record

Compound notes

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